Cas no 834884-23-0 (4-Quinolinecarboxylic acid, 3-fluoro-5,7-dimethyl-)
834884-23-0 structure
Product Name:4-Quinolinecarboxylic acid, 3-fluoro-5,7-dimethyl-
CAS No:834884-23-0
MF:C12H10FNO2
MW:219.211706638336
CID:670746
PubChem ID:12189487
Update Time:2025-04-19
4-Quinolinecarboxylic acid, 3-fluoro-5,7-dimethyl- Chemical and Physical Properties
Names and Identifiers
-
- 4-Quinolinecarboxylic acid, 3-fluoro-5,7-dimethyl-
- 3-fluoro-5,7-dimethylquinoline-4-carboxylic acid
- 834884-23-0
- DTXSID30479760
- AKOS024263617
-
- Inchi： 1S/C12H10FNO2/c1-6-3-7(2)10-9(4-6)14-5-8(13)11(10)12(15)16/h3-5H,1-2H3,(H,15,16)
- InChI Key： RYDSEMGTBCYQSG-UHFFFAOYSA-N
- SMILES： FC1=CN=C2C=C(C)C=C(C)C2=C1C(=O)O
Computed Properties
- Exact Mass: 219.06955672g/mol
- Monoisotopic Mass: 219.06955672g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 16
- Rotatable Bond Count: 1
- Complexity: 284
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.5
- Topological Polar Surface Area: 50.2?2
4-Quinolinecarboxylic acid, 3-fluoro-5,7-dimethyl- Related Literature
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
-
Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
-
Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
-
Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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